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4-Trifluoromethyl diphenyl sulfide, with the molecular formula C14H9F3S, is a white crystalline solid that exhibits unique chemical properties. It is insoluble in water but readily soluble in organic solvents. 4-TRIFLUOROMETHYL DIPHENYL SULFIDE serves as a versatile building block in the synthesis of pharmaceuticals and agrochemicals, and its potential applications extend to material science and organic synthesis due to its ability to function as a ligand in catalytic reactions.

53451-90-4

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53451-90-4 Usage

Uses

Used in Pharmaceutical and Agrochemical Synthesis:
4-Trifluoromethyl diphenyl sulfide is utilized as a key building block in the creation of various pharmaceuticals and agrochemicals. Its unique chemical properties make it a valuable component in the development of new drugs and agricultural chemicals.
Used in Material Science:
In the field of material science, 4-Trifluoromethyl diphenyl sulfide is employed for its potential applications in the development of new materials, leveraging its unique chemical characteristics to enhance material properties.
Used in Organic Synthesis:
4-Trifluoromethyl diphenyl sulfide is used as a reagent in organic synthesis, contributing to the production of a wide range of organic compounds. Its role as a ligand in catalytic reactions is particularly noteworthy, as it can influence the efficiency and selectivity of these processes.
Used in Chemical Manufacturing Processes:
As an important intermediate in chemical manufacturing, 4-Trifluoromethyl diphenyl sulfide plays a crucial role in the production of various organic compounds, underpinning the synthesis of a multitude of chemical products.

Check Digit Verification of cas no

The CAS Registry Mumber 53451-90-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,3,4,5 and 1 respectively; the second part has 2 digits, 9 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 53451-90:
(7*5)+(6*3)+(5*4)+(4*5)+(3*1)+(2*9)+(1*0)=114
114 % 10 = 4
So 53451-90-4 is a valid CAS Registry Number.
InChI:InChI=1/C13H9F3S/c14-13(15,16)10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h1-9H

53451-90-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-phenylsulfanyl-4-(trifluoromethyl)benzene

1.2 Other means of identification

Product number -
Other names 4-Trifluoromethyldiphenyl sulfide

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:53451-90-4 SDS

53451-90-4Relevant academic research and scientific papers

Dimsyl Anion Enables Visible-Light-Promoted Charge Transfer in Cross-Coupling Reactions of Aryl Halides

Pan, Lei,Cooke, Maria Victoria,Spencer, Amara,Laulhé, Sébastien

supporting information, p. 420 - 425 (2021/11/01)

A methodology is reported for visible-light-promoted synthesis of unsymmetrical chalcogenides enabled by dimsyl anion in the absence of transition-metals or photoredox catalysts. The cross-coupling reaction between aryl halides and diaryl dichalcogenides proceeds with electron-rich, electron-poor, and heteroaromatic moieties. Mechanistic investigations using UV-Vis spectroscopy, time-dependent density functional theory (TD-DFT) calculations, and control reactions suggest that dimsyl anion forms an electron-donor-acceptor (EDA) complex capable of absorbing blue light, leading to a charge transfer responsible for generation of aryl radicals from aryl halides. This previously unreported mechanistic pathway may be applied to other light-induced transformations performed in DMSO in the presence of bases and aryl halides.

Palladium-catalysed thioetherification of aryl and alkenyl iodides using 1,3,5-trithiane as sulfur source

Kollár, László,Rajat Rao, Yalamarti Venkat,Zugó, Alexandra,Pongrácz, Péter

, (2021/12/17)

Thioetherification reaction of aryl iodides catalysed by palladium(II) complexes in the presence of 1,3,5-trithiane as sulphur source is reported. The paper presents the first homogeneous catalytic application of 1,3,5-trithiane in synthesis. Detailed optimization steps, the frames of the novel reaction are described, as well as the limitations and the substrate scope are also demonstrated. Moderate to good thioether yields were achieved in the presence of various substituted iodobenzenes and some alkenyl iodides, using palladium-xantphos catalyst system. Competitive reactions in the presence of mixed substrates were also performed and mechanistic considerations were assumed.

Rh(I)-Catalyzed Intramolecular Decarbonylation of Thioesters

Cao, Han,Liu, Xuejing,Bie, Fusheng,Shi, Yijun,Han, Ying,Yan, Peng,Szostak, Michal,Liu, Chengwei

, p. 10829 - 10837 (2021/07/28)

Decarbonylative synthesis of thioethers from thioesters proceeds in the presence of a catalytic amount of [Rh(cod)Cl]2 (2 mol %). The protocol represents the first Rh-catalyzed decarbonylative thioetherification of thioesters to yield valuable thioethers. Notable features include the absence of phosphine ligands, inorganic bases, and other additives and excellent group tolerance to aryl chlorides and bromides that are problematic using other metals to promote decarbonylation. Gram scale synthesis, late-stage pharmaceutical derivatization, and orthogonal site-selective cross-couplings by C-S/C-Br cleavage are reported.

Pd-Catalyzed Double-Decarbonylative Aryl Sulfide Synthesis through Aryl Exchange between Amides and Thioesters

Bie, Fusheng,Cao, Han,Liu, Chengwei,Liu, Xuejing,Shi, Yijun,Szostak, Michal,Zhou, Tongliang

, p. 8098 - 8103 (2021/10/25)

We report the palladium-catalyzed double-decarbonylative synthesis of aryl thioethers by an aryl exchange reaction between amides and thioesters. In this method, amides serve as aryl donors and thioesters are sulfide donors, enabling the synthesis of valuable aryl sulfides. The use of Pd/Xantphos without any additives has been identified as the catalytic system promoting the aryl exchange by C(O)-N/C(O)-S cleavages. The method is amenable to a wide variety of amides and sulfides.

Preparation of Recyclable and Versatile Porous Poly(aryl thioether)s by Reversible Pd-Catalyzed C–S/C–S Metathesis

Morandi, Bill,Rivero-Crespo, Miguel A.,Toupalas, Georgios

supporting information, p. 21331 - 21339 (2021/12/17)

Porous organic materials (polymers and COFs) have shown a number of promising properties; however, the lability of their linkages often limits their robustness and can hamper downstream industrial application. Inspired by the outstanding chemical, mechanical, and thermal resistance of the 1D polymer poly(phenylene sulfide) (PPS), we have designed a new family of porous poly(aryl thioether)s, synthesized via a mild Pd-catalyzed C–S/C–S metathesis-based method, that merges the attractive features common to porous polymers and PPS in a single material. In addition, the method is highly modular, allowing to easily introduce application-oriented functionalities in the materials for a series of environmentally relevant applications including metal capture, metal sensing, and heterogeneous catalysis. Moreover, despite their extreme chemical resistance, the polymers can be easily recycled to recover the original monomers, offering an attractive perspective for their sustainable use. In a broader context, these results clearly demonstrate the untapped potential of emerging single-bond metathesis reactions in the preparation of new, recyclable materials.

Aryl thioether compound and preparation method thereof

-

Paragraph 0018, (2021/11/27)

The invention discloses an aryl thioether compound and a synthesis method thereof, wherein an aryl carboxylic acid and a mercaptan (phenol) are used as main raw materials, and a nickel catalyst is prepared. Under the action of the phosphine ligand and the additive, the aryl carboxylic acid and the thiol (phenol) react in an organic solvent, and after the reaction is finished, the corresponding aryl thioether is obtained. The method has the advantages of low cost, high yield, simple and convenient operation, no pollution and the like, and has potential industrial application prospects. The method provides a cheap and green way for preparation of aryl thioether compounds.

Chan-Lam-Type C-S Coupling Reaction by Sodium Aryl Sulfinates and Organoboron Compounds

Lam, Long Yin,Ma, Cong

supporting information, p. 6164 - 6168 (2021/08/16)

A Chan-Lam-Type C-S coupling reaction using sodium aryl sulfinates has been developed to provide diaryl thioethers in up to 92% yields in the presence of a copper catalyst and potassium sulfite. Both electron-rich and electron-poor sodium aryl sulfinates and diverse organoboron compounds were tolerated for the synthesis of aryl and heteroaryl thioethers and dithioethers. The mechanistic study suggested that potassium sulfite was involved in the deoxygenation of sulfinate through a radical process.

2-Sulfoximidoyl acetic acids from multicomponent petasis reactions and their use as building blocks in syntheses of sulfoximine benzodiazepine analogues

Hommelsheim, Renè,Nú?ez Ponce, Heliana Michaela,Truong, Khai-Nghi,Rissanen, Kari,Bolm, Carsten

supporting information, p. 3415 - 3420 (2021/05/04)

Upon application of a multicomponent Petasis reaction, a broad range of NH-sulfoximines and boronic acids react with glyoxalic acid to afford the corresponding 2-substituted acetic acids with N-bound sulfoximidoyl groups. The protocol features excellent y

A Robust Pd-Catalyzed C-S Cross-Coupling Process Enabled by Ball-Milling

Browne, Duncan L.,Jones, Andrew C.,Nicholson, William I.,Smallman, Harry R.

, p. 7433 - 7438 (2020/10/09)

An operationally simple mechanochemical C-S coupling of aryl halides with thiols has been developed. The reaction process operates under benchtop conditions without the requirement for a (dry) solvent, an inert atmosphere, or catalyst preactivation. The reaction is finished within 3 h. The reaction is demonstrated across a broad range of substrates; the inclusion of zinc metal has been found to be critical in some instances, especially for coupling of alkyl thiols.

Ligand-Free Copper(I)-Mediated Cross-Coupling Reactions of Organostannanes with Sulfur Electrophiles

Zhu, Feng,Chen, Zhenhao,Walczak, MacIej A.

, p. 11942 - 11951 (2020/10/12)

The synthesis of aryl thioether through the cross-coupling of C-S bond is a highly attractive area of research due to the prevalence of aryl thioether in bioactive natural products, functional materials, agrochemicals, and pharmaceutically active compound

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